4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C14H20N4S — CID 103327415

IUPAC4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)CC2CCC2)c2ccsc2n1
InChIInChI=1S/C14H20N4S/c1-3-15-14-16-12(11-7-8-19-13(11)17-14)18(2)9-10-5-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16,17)
InChIKeyZYXZPGGDKPTQCR-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.36
Rot. Bonds5

About 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327415) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327415
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)CC2CCC2)c2ccsc2n1
InChIInChI=1S/C14H20N4S/c1-3-15-14-16-12(11-7-8-19-13(11)17-14)18(2)9-10-5-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16,17)
InChIKeyZYXZPGGDKPTQCR-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327411
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326516
4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325760
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327884
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
2-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327565
4-(cyclopentylmethylsulfanyl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334935
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 103326416

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103327415) is 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N(C)CC2CCC2)c2ccsc2n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZYXZPGGDKPTQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-15-14-16-12(11-7-8-19-13(11)17-14)18(2)9-10-5-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).